Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00004685454 | Bronze | (5E)-3,4,9-trihydroxy-2-propyl-2,3,4,7,8,9-hexahydrooxecin-10-one |
| CCMSLIB00004685455 | Bronze | (5E)-3,4,9-trihydroxy-2-propyl-2,3,4,7,8,9-hexahydrooxecin-10-one |
| CCMSLIB00004692786 | Bronze | (5E)-3,4,9-trihydroxy-2-propyl-2,3,4,7,8,9-hexahydrooxecin-10-one |
| CCMSLIB00004692787 | Bronze | (5E)-3,4,9-trihydroxy-2-propyl-2,3,4,7,8,9-hexahydrooxecin-10-one |
| CCMSLIB00004692788 | Bronze | (5E)-3,4,9-trihydroxy-2-propyl-2,3,4,7,8,9-hexahydrooxecin-10-one |
| CCMSLIB00004692789 | Bronze | (5E)-3,4,9-trihydroxy-2-propyl-2,3,4,7,8,9-hexahydrooxecin-10-one |
| CCMSLIB00004692790 | Bronze | (5E)-3,4,9-trihydroxy-2-propyl-2,3,4,7,8,9-hexahydrooxecin-10-one |
| CCMSLIB00004692791 | Bronze | (5E)-3,4,9-trihydroxy-2-propyl-2,3,4,7,8,9-hexahydrooxecin-10-one |
COMPOUND NPA009488
PROPERTIES
| NPAID | NPA009488 |
|---|---|
| CLUSTER ID | 16 |
| NODE ID | 16 |
| NAME | Herbarumin-II |
| FORMULA | C12H20O5 |
| MOLECULAR WEIGHT (Da) | 244.2870 |
| ACCURATE MASS (Da) | 244.1311 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Phoma |
| ORIGIN SPECIES | herbarum |
| InChIKey | KQJGPGHQDDZVHJ-CJXQFTKGSA-N |
| InChI | InChI=1S/C12H20O5/c1-2-5-10-11(15)8(13)6-3-4-7-9(14)12(16)17-10/h3,6,8-11,13-15H,2,4-5,7H2,1H3/b6-3-/t8-,9+,10+,11-/m0/s1 |
| SMILES | CCC[C@@H]1[C@H]([C@H](/C=C\CC[C@H](C(=O)O1)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Rivero-Cruz, José Fausto; Garcı́a-Aguirre, Genoveva; Cerda-Garcı́a-Rojas, Carlos M.; Mata, Rachel Conformational Behavior and Absolute Stereostructure of Two Phytotoxic Nonenolides from the Fungus Phoma herbarum Tetrahedron 2000 56 (30) 5337-5344. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4020(00)00469-5 | PMID | - |
